CID 54703185

83432-20-6

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=CC(=C(C(=O)O1)N)O
InChI
InChI=1S/C6H7NO3/c1-3-2-4(8)5(7)6(9)10-3/h2,8H,7H2,1H3
InChIKey
SIHJEABMVDRMHV-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxy-6-methylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.04259 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 123.5
[M+Na]+ 164.031808 134.0
[M-H]- 140.035314 127.4
[M+NH4]+ 159.076413 143.4
[M+K]+ 180.005748 133.4
[M+H-H2O]+ 124.039850 118.5
[M+HCOO]- 186.040791 147.9
[M+CH3COO]- 200.056441 172.7
[M+Na-2H]- 162.017256 130.9
[M]+ 141.04204142 124.1
[M]- 141.04313858 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe